ethyl 3-[2-[(4-methylphenyl)-methylsulfonyl-amino]propanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[(4-methylphenyl)-methylsulfonyl-amino]propanoylamino]benzoate Openeye Name: ethyl 3-[2-(4-methyl-N-methylsulfonyl-anilino)propanoylamino]benzoate CAS Name: 3-[[2-(4-methyl-N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-methyl-N-methylsulfonylanilino)propanoylamino]benzoate Traditional Name: 3-[2-(N-mesyl-4-methyl-anilino)propanoylamino]benzoic acid ethyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(C)N(C2=CC=C(C=C2)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(C)N(C2=CC=C(C=C2)C)S(=O)(=O)C

InChI

InChI=1S/C20H24N2O5S/c1-5-27-20(24)16-7-6-8-17(13-16)21-19(23)15(3)22(28(4,25)26)18-11-9-14(2)10-12-18/h6-13,15H,5H2,1-4H3,(H,21,23)